SCHEMBL6885895

SCHEMBL6885895

O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)[nH]2)cc1)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.64
PTPN11 Q06124 4/20 0.64
PTPN6 P29350 1/20 0.61
BACE1 P56817 2/20 0.54
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
MITF O75030 1/20 0.52
P4HTM Q9NXG6 2/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
PTPN2 P17706 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 1/20 0.49
MAPK1 P28482 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6888524 0.87 CCNA2 (0.53) PTPN1PTPN11PTPN6BACE1NPC1
SCHEMBL6883824 0.85 KMT2A (0.53) PTPN1PTPN11PTPN6BACE1KCNQ3
SCHEMBL15707591 0.82 BACE1 (0.44) PTPN1PTPN11PTPN6BACE1P4HTM
SCHEMBL26094468 0.82 BACE1 (0.61) BACE1NPC1RAB9AMEN1KMT2A
SCHEMBL31660405 0.82 BACE1 (0.61) BACE1NPC1RAB9AMEN1KMT2A
SCHEMBL6885464 0.80 ROCK2 (0.58) BACE1NPC1RAB9AMEN1KMT2A
SCHEMBL20425348 0.78 SCN2A (0.67) P4HTMNPC1RAB9AKMT2APOLB
SCHEMBL6027251 0.77 KMT2A (0.53) BACE1NPC1RAB9AMEN1KMT2A
SCHEMBL6026031 0.77 MEN1 (0.52) PTPN1NPC1RAB9APTPN2MEN1
SCHEMBL10684470 0.76 PTPN1 (0.88) PTPN1PTPN11PTPN6BACE1KCNQ3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS 2004-11-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders ICOS, TSLP, IKZF3 PTPN1 2513/4885PTPN11 3097/4885PTPN6 2222/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.